Coarse brownian dynamics for nematic liquid crystals: Bifurcation, projective integration, and control via stochastic simulation

C. I. Siettos, M. D. Graham, I. G. Kevrekidis

Research output: Contribution to journalArticle

75 Scopus citations

Abstract

A computer-assisted approach that aspires to bridge macrocopic numerical analysis techniques for the cloed equations directly with microscopic/stochastic simulation codes was demonstrated in the Brownian dynamics context. This system-identification-based, computational "closure-on-demand" approach sidesteps the necessity of deriving good explicit closures. It enables state-of-the-art microscopic codes, by wrapping a computational superstructure around them, to perform tasks they were not in principle designed for.

Original languageEnglish (US)
Pages (from-to)10149-10156
Number of pages8
JournalJournal of Chemical Physics
Volume118
Issue number22
DOIs
StatePublished - Jun 8 2003

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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